Name: 5-(2-methoxy-3-nitro-phenyl)furan-2-carboxylic acid
SMILES:
COc1c(-c2ccc(C(=O)O)o2)cccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C12H9NO6
Molecular weight
263.2
Exact mass
263.043
XLogP
2.56
TPSA
102.81
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
64.31
Supplementary Information
Details werden geladen…
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